AG008TCX

1095824-76-2 | 2-Acetylthiazole-5-carboxylic acid

AG008TCX

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CAS Number	1095824-76-2
Catalog Number	AG008TCX(AGN-PC-088Q0T)
Chemical Name	2-Acetylthiazole-5-carboxylic acid
IUPAC Name	2-acetyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C6H5NO3S/c1-3(8)5-7-2-4(11-5)6(9)10/h2H,1H3,(H,9,10)
InChI Key	LIFGFPYQXSGAQL-UHFFFAOYSA-N
MDL Number	MFCD17169900
Molecular Formula	C6H5NO3S
Molecular Weight	171.1738
SMILES	CC(=O)C1=NC=C(S1)C(O)=O
Synonyms	2-ACETYLTHIAZOLE-5-CARBOXYLIC ACID, 1095824-76-2, 2-acetyl-1,3-thiazole-5-carboxylic acid, 2-acetyl-5-Thiazolecarboxylic acid, 5-Thiazolecarboxylic acid, 2-acetyl-, SCHEMBL600887, KS-00001ENV, DTXSID40678762, 5-Thiazolecarboxylic acid,2-acetyl, 5-Thiazolecarboxylicacid,2-acetyl-, CS-M1606, 1877AA, 5-Thiazolecarboxylic acid,2-acetyl-, FD7385, MFCD17169900, ZINC66338738, AKOS015898677, AS-49317, AJ-116159, DB-059925, FT-0688427, I09-1894, Z2327226254, C6H5NO3S,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.17g/mol
Monoisotopic Mass	170.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	95.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number